(2-butylidene-1,3-dioxolan-4-yl)methanol

C8H14O3 — CID 67855488

IUPAC(2-butylidene-1,3-dioxolan-4-yl)methanol
SMILESCCCC=C1OCC(CO)O1
InChIInChI=1S/C8H14O3/c1-2-3-4-8-10-6-7(5-9)11-8/h4,7,9H,2-3,5-6H2,1H3
InChIKeySLTBZOHBJCSAMJ-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.04
Rot. Bonds3

About (2-butylidene-1,3-dioxolan-4-yl)methanol

(2-butylidene-1,3-dioxolan-4-yl)methanol (PubChem CID 67855488) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is (2-butylidene-1,3-dioxolan-4-yl)methanol.

Molecular Properties

Compound Name(2-butylidene-1,3-dioxolan-4-yl)methanol
PubChem CID67855488
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name(2-butylidene-1,3-dioxolan-4-yl)methanol
SMILESCCCC=C1OCC(CO)O1
InChIInChI=1S/C8H14O3/c1-2-3-4-8-10-6-7(5-9)11-8/h4,7,9H,2-3,5-6H2,1H3
InChIKeySLTBZOHBJCSAMJ-UHFFFAOYSA-N
XLogP1.04
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-butylidene-1,3-dioxolan-4-yl)methanol?
The IUPAC name of (2-butylidene-1,3-dioxolan-4-yl)methanol (CID 67855488) is (2-butylidene-1,3-dioxolan-4-yl)methanol.
What is the SMILES notation for (2-butylidene-1,3-dioxolan-4-yl)methanol?
The canonical SMILES for (2-butylidene-1,3-dioxolan-4-yl)methanol is CCCC=C1OCC(CO)O1.
What is the InChIKey of (2-butylidene-1,3-dioxolan-4-yl)methanol?
The InChIKey is SLTBZOHBJCSAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-2-3-4-8-10-6-7(5-9)11-8/h4,7,9H,2-3,5-6H2,1H3.
What are the key properties of (2-butylidene-1,3-dioxolan-4-yl)methanol?
(2-butylidene-1,3-dioxolan-4-yl)methanol has a molecular weight of 158.20 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butylidene-1,3-dioxolan-4-yl)methanol is sourced from PubChem (CID 67855488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).